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NASA NTRS1998

Parallel Implicit Algorithms for CFD

The main goal of this project was efficient distributed parallel and workstation cluster implementations of Newton-Krylov-Schwarz (NKS) solvers for implicit Computational Fluid Dynamics (CFD.) "Newton" refers to a quadratically convergent nonlinear iteration using gradient information based on the true residual, "Krylov" to an inner linear iteration that accesses the Jacobian matrix only through highly parallelizable sparse matrix-vector products, and "Schwarz" to a domain decomposition form of preconditioning the inner Krylov iterations with primarily neighbor-only exchange of data between the processors. Prior experience has established that Newton-Krylov methods are competitive solvers in the CFD context and that Krylov-Schwarz methods port well to distributed memory computers. The combination of the techniques into Newton-Krylov-Schwarz was implemented on 2D and 3D unstructured Euler codes on the parallel testbeds that used to be at LaRC and on several other parallel computers operated by other agencies or made available by the vendors. Early implementations were made directly in Massively Parallel Integration (MPI) with parallel solvers we adapted from legacy NASA codes and enhanced for full NKS functionality. Later implementations were made in the framework of the PETSC library from Argonne National Laboratory, which now includes pseudo-transient continuation Newton-Krylov-Schwarz solver capability (as a result of demands we made upon PETSC during our early porting experiences). A secondary project pursued with funding from this contract was parallel implicit solvers in acoustics, specifically in the Helmholtz formulation. A 2D acoustic inverse problem has been solved in parallel within the PETSC framework.

Keyes, David E.↗

NASA NTRS1988

Element-by-element and implicit-explicit finite element formulations for computational fluid dynamics

Preconditioner algorithms to reduce the computational effort in FEM analyses of large-scale fluid-dynamics problems are presented. A general model problem is constructed on the basis of the convection-diffusion equation and the two-dimensional vorticity/stream-function formulation of the Navier-Stokes equations; this problem is then analyzed using element-by-element, implicit-explicit, and adaptive implicit-explicit approximation schemes. Numerical results for the two-dimensional advection and rigid-body rotation of a cosine hill, flow past a circular cylinder, and driven cavity flow are presented in extensive graphs and shown to be in good agreement with those obtained using implicit methods.

Tezduyar, T. E.↗

DOE OSTI2025

Ten-moment fluid modeling of the Weibel instability

We investigate the one-dimensional non-relativistic Weibel instability through the capture of anisotropic pressure tensor dynamics using an implicit 10-moment fluid model that employs the electromagnetic Darwin approximation. The results obtained from the 10-moment model are compared with an implicit particle-in-cell simulation. The linear growth rates obtained from the numerical simulations are in good agreement with the theoretical fluid and kinetic dispersion relations. The fluid dispersion relations are derived using Maxwell’s equations and the Darwin approximation. We also show that the magnetohydrodynamic approximation can be used to model the Weibel instability if one accounts for an anisotropic pressure tensor and unsteady terms in the generalised Ohm’s law. In addition, we develop a preliminary theory for the saturation magnetic field strength of the Weibel instability, showing good agreement with the numerical results.

Kuldinow, D. A. (ORCID:0000000319730196)↗

DOE OSTI2026

Langevin and Fokker-Planck analyses for diffusion-mediated passing of circular and discorectangular species in two-dimensional channels

The propensity for pairs of diffusing species to pass each other within narrow channels or pores is of basic interest as a first-passage-type problem. It is also of relevance for solution-phase transport in nanoporous materials, and in particular for catalytic conversion reactions where high yield requires that product species can efficiently pass reactant species to exit the pores. Here, we analyze a two-dimensional model with nonoverlapping circular and discorectangular species confined to a rectangular channel, and where passing is mediated by Brownian dynamics in an implicit solvent. For narrower channels where passing is still possible, the discorectangle must align with the channel to pass the circular species. Behavior of the passing propensity, 𝑃, can be assessed by strongly damped Langevin simulations, or within an equivalent Fokker-Planck equation (FPE) formalism. The latter corresponds to a diffusion problem in a “higher-dimensional channel” with a constriction. We assess the variation of the passing propensity, 𝑃, for a broad range of channel width including its scaling just above the threshold where passing is sterically blocked. Analysis of 𝑃 versus the rotational diffusion coefficient 𝐷 𝑟 of the discorectangle reveals a significant decrease in 𝑃 for lower 𝐷 𝑟 for moderate channel width. This prompts a direct analysis of the regime where 𝐷 𝑟 → 0 , for which the FPE can be reduced to a three-dimensional diffusion problem, precise analysis of which is facilitated by adaptive-mesh finite element methods. The dependence of 𝑃 on the aspect ratio of the discorectangle is also assessed.

Rahman, Md Khaledur [Ames Laboratory (AMES), Ames,↗

NASA NTRS1981

Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

Davy, W. C.↗

NASA NTRS1983

Numerical solution of a coupled pair of elliptic equations from solid state electronics

Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem.

Phillips, T. N.↗

NASA NTRS1983

Symmetric linear systems - An application of algebraic systems theory

Dynamical systems which contain several identical subsystems occur in a variety of applications ranging from command and control systems and discretization of partial differential equations, to the stability augmentation of pairs of helicopters lifting a large mass. Linear models for such systems display certain obvious symmetries. In this paper, we discuss how these symmetries can be incorporated into a mathematical model that utilizes the modern theory of algebraic systems. Such systems are inherently related to the representation theory of algebras over fields. We will show that any control scheme which respects the dynamical structure either implicitly or explicitly uses the underlying algebra.

Hazewinkel, M.↗

NASA NTRS1984

Numerical solution of a coupled pair of elliptic equations from solid state electronics

Phillips, T. N.↗

NASA NTRSDate not supplied

Enabling Execution of a Legacy CFD Mini Application on Accelerators Using OpenMP

We describe the process and outcome of our efforts to port a legacy Fortran benchmark code to heterogeneous GPU-accelerated computing architectures using OpenMP. The benchmark code is one of the multi-zone NAS Parallel Benchmarks (NPB-MZ) called SP-MZ. This “mini-app” mimics the computation and data movement that is found in popular legacy and modern implicit computational fluid dynamics (CFD)solvers. Our objective was to examine how efficiently legacy Fortran codes can be ported to accelerators by leveraging OpenMP directives. We describe the development and optimization process and demonstrate the performance impact of various code modifications. We show select profiling results from the Nvidia nvvp profiler to help others diagnose and overcome performance issues in their own applications. We present results for two compute systems endowed with Nvidia V100 accelerators.

Ioannis Nompelis↗

NASA NTRS1988

Some numerical and physical aspects of unsteady Navier-Stokes computations over airfoils using dynamic meshes

An upwind-biased implicit approximate factorization algorithm is applied to several unsteady flows on dynamic meshes. The thin-layer form of the compressible Navier-Stokes equations is used to solve both laminar and turbulent flows over airfoils pitching about the quarter chord. Numerical aspects of the solutions are investigated, including grid and time step effects. Two methods for determining fluxes - flux-vector splitting and flux-difference splitting - are compared. Flux-difference splitting predicts results more accurately than flux-vector splitting on a coarse mesh, but both methods agree on a fine mesh. Physical aspects of the computations are also examined. An equilibrium turbulent boundary layer model computes generally better unsteady results in comparison with experiment than a nonequilibrium model for the transonic case analyzed. Also, the size and location of the primary shed vortex for an airfoil pitching up at a constant rate is calculated in good agreement with experiment for two pitch rates.

Rumsey, Christopher L.↗

NASA NTRS1987

Finite element solution techniques for large-scale problems in computational fluid dynamics

Element-by-element approximate factorization, implicit-explicit and adaptive implicit-explicit approximation procedures are presented for the finite-element formulations of large-scale fluid dynamics problems. The element-by-element approximation scheme totally eliminates the need for formation, storage and inversion of large global matrices. Implicit-explicit schemes, which are approximations to implicit schemes, substantially reduce the computational burden associated with large global matrices. In the adaptive implicit-explicit scheme, the implicit elements are selected dynamically based on element level stability and accuracy considerations. This scheme provides implicit refinement where it is needed. The methods are applied to various problems governed by the convection-diffusion and incompressible Navier-Stokes equations. In all cases studied, the results obtained are indistinguishable from those obtained by the implicit formulations.

Liou, J.↗

NASA NTRS1991

Acceleration of convergence by shifting the spectrum of implicit finite difference operators associated with the equations of gas dynamics

Eigensystem analysis techniques are applied to finite difference formulations of the Navier-Stokes equations in one dimension. Spectra of the resulting implicit difference operators are computed. The largest eigenvalues are calculated by using a combination of the Frechet derivative of the operators and Arnoldi's method. The accuracy of Arnoldi's method is tested by comparing the rate of convergence of the iterative method with the dominant eigenvalue of the original iteration matrix. On the basis of the pattern of eigenvalue distributions for various flow configurations, a shifting of the implicit operators in question is devised. This procedure has improved the rates of convergence of CFD codes by 20 - 50 percent.

Cheer, A.↗

NASA NTRS1981

Stable boundary approximations for a class of implicit schemes for the one-dimensional inviscid equations of gas dynamics

The applicability to practical calculations of recent theoretical developments in the stability analysis of difference approximations for initial-boundary-value problems of the hyperbolic type. For the numerical experiments, select the one-dimensional inviscid gas-dynamic equations in conservation-law form is selected. A class of implicit schemes based on linear multistep methods for ordinary differential equations is chosen and the use of space or space-time extrapolations as implicit or explicit boundary schemes is emphasized. Some numerical examples with various inflow-outflow conditions highlight the commonly discussed issues: explicit versus implicit boundary schemes, unconditionally stable schemes, and underspecification or overspecification of boundary conditions.

Yee, H. C.↗

NASA NTRS1987

Transient rotor dynamic rub phenomena - Theory and test

This paper develops an implicit integration scheme for transient rotor dynamic rub prediction and includes a correlation study with actual test results. A Nordsieck-like numerical integration scheme is applied directly to the second-order equations of motion. The assumption that forces and torques on the rotor are functions of the position and velocity at the point of application and its nearest neighbor is made in order to make the computational time proportional to the number of elements in the rotor dynamics model rather than the cube of the number. The test rig consists of a turbine driven, flexible shaft supported by squeeze film dampers. The blade loss event occurs due to collision of a balance bolt on one of the disks with a high speed plunger. The rotor is seen to spiral outward and contact against a stationary assemblage of seal shoes.

Kascak, A. F.↗

NASA NTRS1989

Unsteady Navier-Stokes computations over airfoils using both fixed and dynamic meshes

A finite volume implicit approximate factorization method which solves the thin layer Navier-Stokes equations was used to predict unsteady turbulent flow airfoil behavior. At a constant angle of attack of 16 deg, the NACA 0012 airfoil exhibits an unsteady periodic flow field with the lift coefficient oscillating between 0.89 and 1.60. The Strouhal number is 0.028. Results are similar at 18 deg, with a Strouhal number of 0.033. A leading edge vortex is shed periodically near maximum lift. Dynamic mesh solutions for unstalled airfoil flows show general agreement with experimental pressure coefficients. However, moment coefficients and the maximum lift value are underpredicted. The deep stall case shows some agreement with experiment for increasing angle of attack, but is only qualitatively comparable past stall and for decreasing angle of attack.

Rumsey, Christopher L.↗

DOE OSTI2024

Implementation and (Inverse Modified) Error Analysis for Implicitly Templated ODE-Nets

We focus on learning unknown dynamics from data using ODE-nets templated on implicit numerical initial value problem solvers. First, we perform inverse modified error analysis of the ODE-nets using unrolled implicit schemes for ease of interpretation. It is shown that training an ODE-net using an unrolled implicit scheme returns a close approximation of an inverse modified differential equation (IMDE). In addition, we establish a theoretical basis for hyperparameter selection when training such ODE-nets, whereas current strategies usually treat numerical integration of ODE-nets as a black box. We thus formulate an adaptive algorithm which monitors the level of error and adapts the number of (unrolled) implicit solution iterations during the training process, so that the error of the unrolled approximation is less than the current learning loss. This helps accelerate training while maintaining accuracy. Several numerical experiments are performed to demonstrate the advantages of the proposed algorithm compared to nonadaptive unrollings and validate the theoretical analysis. Here, we also note that this approach naturally allows for incorporating partially known physical terms in the equations, giving rise to what is termed “gray box” identification.

ODE-nets↗

DOE OSTI2026

Nonlocal Effect of Percolated Particle Networks on Viscoelasticity of Polymer–Filler Nanocomposites: A Mesoscale Simulation Study

With nanoparticles (NPs) as fillers, polymer nanocomposites (PNCs) usually exhibit enhanced mechanical properties. However, a direct connection between the microscopic structural relaxation and macroscopic mechanical properties of PNCs remains to be established. To investigate the micro-to-macro connection, we develop a mesoscale model, in which the NPbridging polymer chains are represented by a dynamic bonded interaction between NPs, and the bulk polymer matrix is implicitly modeled by overdamped Langevin dynamics. Extensive equilibrium simulations are performed to quantify the microscopic dynamics of model PNCs. Systematic analyses of modified Rouse dynamics, dynamic structure factor, and relaxation modulus uncover that the microscopic relaxation dynamics of PNCs are significantly decelerated across different length scales because of nonlocal effects of percolated particle networks a phenomenon that has not been adequately captured in prior simulation studies. We find that NPvolume- fraction and NP-bonding-energy barrier are the two critical variables that affect bulk viscoelasticity the most. The proposed mesoscale model is versatile and provides a powerful framework for studying structure−property relations of different PNCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Unsteady transonic airfoil computation using implicit Euler scheme on body-fixed grid

The unsteady Euler equations have been derived for the flow relative motion with respect to a frame of reference that is rigidly attached to the moving airfoil. The grid is generated once by an elliptic solver without a need for dynamic grid computation. An implicit factored finite-volume scheme has been developed and implemented through a fully vectorized computer program. Implicit second-order and explicit second and fourth-order dissipations are added to the scheme. The boundary conditions are explicitly satisfied. The scheme is applied to steady and unsteady transonic airfoil flows and the results are in good agreement with the experimental data. For forced harmonic airfoil motions, periodic solutions are achieved within the third cycle of oscillation.

Kandil, Osama A.↗